4-Methylpent-4-En-2-One

CAT: 1299-RG-M052085-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RG-M052085-01Size:10 mg

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CAS Number

3744-02-3

Synonyms

4-methylpent-4-en-2-one

Molecular Formula

C6H10O

Molecular Weight

98.14

Product Name Synonym

4-methylpent-4-en-2-one

Chemical Information

4-Penten-2-one, 4-methyl-

4-Methyl-4-penten-2-one is a ketone.

CAS Number	3744-02-3
PubChem CID	19543
IUPAC Name	4-methylpent-4-en-2-one
Molecular Formula	C6H10O
Molecular Weight	98.14
XLogP	1.3
Topological Polar Surface Area	17.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	7
Formal Charge	0
Complexity	92

SMILES

CC(=C)CC(=O)C

InChI

InChI=1S/C6H10O/c1-5(2)4-6(3)7/h1,4H2,2-3H3

InChIKey

VADUDTKCGJKNDY-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 3744-02-3

CID: 19543

Formula: C6H10O

MW: 98.14

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	98.14
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	98.073164938
Monoisotopic Mass	98.073164938
Topological Polar Surface Area	17.1 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	92.4
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
RG-H250421-01	2- (Hydroxymethyl) -2-Methylpent-4-En-1-Yl Isopropylcarbamate
RG-P022513-01	4-Methylpent-2-Enal
RG-P051415-01	Pent-4-En-2-One
RG-A262530-01	4- (4-Hydroxyphenyl) But-3-En-2-One
RG-E140191-01	2,4-Diphenyl-4-methylpent-2-ene
RG-A261824-01	(E) -3-Methylpent-3-En-1-Amine
RG-A261361-01	2-Butyl-1,3-Diazaspiro[4.4]Non-2-En-4-One
RG-A261950-01	2-Methylpent-2-Ene
RG-C121510-01	4-Chloro-4-Methylpentan-2-One
RG-H250481-01	4-Hydroxy-4-Methylpentan-2-One

Catalog	Name
OR1030859-01	4-Methylpent-4-En-2-One
OR1053800-01	2-Methylpent-4-en-1-ol
OR27967	3-[4- (dimethylamino) phenyl]-4-methylpent-3-en-2-one
KAA35469-01	2-Methylpent-4-en-2-amine hydrochloride
OR13590	1- (Diethylamino) -4-methylpent-4-en-2-yne
M24755	4-Methylpent-4-en-2-ol Tech Grade
MKD75805-01	4-Methylpent-4-en-1-amine hydrochloride
90028295-5ml	3-Methylpent-3-en-2-one
PC408502	(E) -1- (4-Fluorophenyl) -2-methylpent-1-en-3-one
PC6652	1,5-Di (trifluoromethyl) -4-methylpent-3-en-2-one